1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol

C10H14F2N2O2 — CID 125452162

IUPAC1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
SMILESCC(F)(F)c1noc(CC2(O)CCCC2)n1
InChIInChI=1S/C10H14F2N2O2/c1-9(11,12)8-13-7(16-14-8)6-10(15)4-2-3-5-10/h15H,2-6H2,1H3
InChIKeyFVFDITYQJXICTH-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.03
Rot. Bonds3

About 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol

1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol (PubChem CID 125452162) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
PubChem CID125452162
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
SMILESCC(F)(F)c1noc(CC2(O)CCCC2)n1
InChIInChI=1S/C10H14F2N2O2/c1-9(11,12)8-13-7(16-14-8)6-10(15)4-2-3-5-10/h15H,2-6H2,1H3
InChIKeyFVFDITYQJXICTH-UHFFFAOYSA-N
XLogP2.03
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol (CID 125452162) is 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol is CC(F)(F)c1noc(CC2(O)CCCC2)n1.
What is the InChIKey of 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol?
The InChIKey is FVFDITYQJXICTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-9(11,12)8-13-7(16-14-8)6-10(15)4-2-3-5-10/h15H,2-6H2,1H3.
What are the key properties of 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol?
1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol has a molecular weight of 232.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 125452162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).